Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5734726 | 1.00 | CYP2D6 (0.47) | CYP2D6ACHEALDH1A1HTTKDM4E | |
| SCHEMBL512305 | 1.00 | CYP2D6 (0.47) | CYP2D6ACHEALDH1A1HTTKDM4E | |
| SCHEMBL1376778 | 0.85 | TSHR (0.53) | CYP2D6ACHEALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1372864 | 0.85 | TSHR (0.53) | CYP2D6ACHEALDH1A1KDM4ESMN1; SMN2 | |
| Proline SCHEMBL3060992 | 0.82 | CYP2D6 (0.43) | CYP2D6ALDH1A1HTTKDM4ELMNA | |
| D-Proline SCHEMBL3803838 | 0.82 | CYP2D6 (0.43) | CYP2D6ALDH1A1HTTKDM4ELMNA | |
| Proline SCHEMBL3060990 | 0.82 | CYP2D6 (0.43) | CYP2D6ALDH1A1HTTKDM4ELMNA | |
| SCHEMBL1541561 | 0.81 | CYP2D6 (0.50) | CYP2D6ACHEALDH1A1HTTKDM4E | |
| SCHEMBL15129787 | 0.81 | CYP2D6 (0.42) | CYP2D6ACHEALDH1A1HTTKDM4E | |
| SCHEMBL5217383 | 0.81 | CYP2D6 (0.42) | CYP2D6ACHEALDH1A1HTTKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108290881-B | Therapeutic compounds and methods of use thereof | 健泰科生物技术公司 | 2021-12-07 | — | — | CN | disclosed |
| US-20210171516-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2021-06-10 | — | — | US | disclosed |
| US-10787446-B2 | Therapeutic compounds and methods of use thereof | GENENTECH, INC. (US) | 2020-09-29 | — | — | US | disclosed |
| US-10287286-B2 | Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-05-14 | — | — | US | disclosed |
| US-20180291014-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-10-11 | — | — | US | disclosed |
| US-20180072714-A1 | Novel Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | US | disclosed |
| EP-2382197-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2016-10-05 | — | — | EP | disclosed |
| US-8999976-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-07 | — | — | US | disclosed |
| US-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-11-20 | — | — | US | disclosed |
| US-20140235625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-21 | — | — | US | disclosed |
| US-8354427-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |
| US-20100184739-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-22 | — | — | US | disclosed |
| US-20100168094-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | US | disclosed |
| EP-0933379-B1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO (JP) | 2006-03-22 | — | — | EP | disclosed |
| US-6319902-B1 | TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT | SHIONOGI & CO., LTD. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0933379-A1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO., LTD. (JP) | 1999-08-04 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180072714-A1 | Novel Compounds | F12, HAX1, C1S | CYP2D6 37/4885ACHE 1802/4885ALDH1A1 1417/4885 |
| US-20100184739-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP2D6 1732/4885ACHE 4787/4885ALDH1A1 2165/4885 |
| US-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2D6 1732/4885ACHE 4787/4885ALDH1A1 2165/4885 |
| US-10287286-B2 | Compounds | F12, C1S, F3 | CYP2D6 15/4885ACHE 1134/4885ALDH1A1 1094/4885 |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2D6 1732/4885ACHE 4787/4885ALDH1A1 2165/4885 |
| US-20140235625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC2 | CYP2D6 3306/4885ACHE 4827/4885ALDH1A1 3054/4885 |
| US-20180291014-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | AVPR1B, C3AR1, RHEB | CYP2D6 1719/4885ACHE 1551/4885ALDH1A1 1169/4885 |
| US-20100168094-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC2 | CYP2D6 3306/4885ACHE 4827/4885ALDH1A1 3054/4885 |
| US-10787446-B2 | Therapeutic compounds and methods of use thereof | AVPR1B, C3AR1, RHEB | CYP2D6 1719/4885ACHE 1551/4885ALDH1A1 1169/4885 |
| US-20210171516-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | AVPR1B, C3AR1, RHEB | CYP2D6 1719/4885ACHE 1551/4885ALDH1A1 1169/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.